Molecule

ID:15604

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey
ZOPXUHDPGGHISS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cc(n2C)C(=O)O
Isomeric Smiles
c1c(cc2c(c1)n(c(c2)C(=O)O)C)F
Calculated Properties
JChem
Acid pKa
3.388442
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.082652405
LogD (pH = 7.4)
-1.3898383
Log P
2.0159698
Molar Refractivity
49.3913
Polarizability
19.295969
Polar Surface Area
42.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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